2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile

C12H6Cl2N6O — CID 21233910

IUPAC2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc(Nc2ccccc2O)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl2N6O/c13-9-6(5-15)11(19-20-16)18-12(10(9)14)17-7-3-1-2-4-8(7)21/h1-4,21H,(H,17,18)
InChIKeyCVMVDTTYMMYUTL-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.65
Rot. Bonds3

About 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile

2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile (PubChem CID 21233910) has the molecular formula C12H6Cl2N6O and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile
PubChem CID21233910
Molecular FormulaC12H6Cl2N6O
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc(Nc2ccccc2O)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl2N6O/c13-9-6(5-15)11(19-20-16)18-12(10(9)14)17-7-3-1-2-4-8(7)21/h1-4,21H,(H,17,18)
InChIKeyCVMVDTTYMMYUTL-UHFFFAOYSA-N
XLogP4.65
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-4,5-dichloro-6-(3-hydroxyanilino)pyridine-3-carbonitrile
CID 21233911
2,4-diazidoquinoline-3-carbonitrile
CID 10657437
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
3-bromo-5-(2-hydroxyanilino)-1,2-thiazole-4-carbonitrile
CID 23792210
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004427
2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10612750
1-phenyl-1-[(3,4,6-trichloro-5-cyano-2-pyridinyl)amino]thiourea
CID 22308112
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
2-[(4-chloro-2-pyridinyl)amino]phenol
CID 175357814
2-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722

Frequently Asked Questions

What is the IUPAC name of 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile (CID 21233910) is 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile is N#Cc1c(N=[N+]=[N-])nc(Nc2ccccc2O)c(Cl)c1Cl.
What is the InChIKey of 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile?
The InChIKey is CVMVDTTYMMYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N6O/c13-9-6(5-15)11(19-20-16)18-12(10(9)14)17-7-3-1-2-4-8(7)21/h1-4,21H,(H,17,18).
What are the key properties of 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile?
2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile has a molecular weight of 321.13 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 21233910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).